REMARK Name = BDB041154 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.258 -0.996 0.051 0.00 0.00 +0.169 A ATOM 2 N LIG 1 -4.804 -2.148 -0.395 0.00 0.00 -0.224 NA ATOM 3 C LIG 1 -3.883 -3.046 -0.801 0.00 0.00 +0.115 A ATOM 4 C LIG 1 -2.523 -2.800 -0.768 0.00 0.00 +0.192 A ATOM 5 O LIG 1 -1.832 -3.882 -1.230 0.00 0.00 -0.458 OA ATOM 6 C LIG 1 -2.764 -4.819 -1.563 0.00 0.00 +0.198 A ATOM 7 C LIG 1 -2.021 -1.590 -0.307 0.00 0.00 +0.166 A ATOM 8 C LIG 1 -4.037 -4.352 -1.317 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -2.939 -0.683 0.102 0.00 0.00 -0.209 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -5.284 0.437 1.807 0.00 0.00 +0.229 A ATOM 11 C LIG 1 -5.185 0.037 0.482 0.00 0.00 +0.102 A ATOM 12 C LIG 1 -6.033 0.696 -0.407 0.00 0.00 +0.062 A ATOM 13 N LIG 1 -6.901 1.652 0.018 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 -6.902 1.949 1.322 0.00 0.00 +0.225 A ATOM 15 N LIG 1 -6.131 1.387 2.253 0.00 0.00 -0.201 NA BRANCH 12 16 ATOM 16 C LIG 1 -6.043 0.382 -1.894 0.00 0.00 +0.039 C ATOM 17 C LIG 1 -4.857 0.759 -2.756 0.00 0.00 +0.010 C ATOM 18 C LIG 1 -6.150 1.500 -2.906 0.00 0.00 +0.010 C ENDBRANCH 12 16 BRANCH 10 20 ATOM 19 C LIG 1 -4.613 0.291 4.059 0.00 0.00 +0.279 C ATOM 20 O LIG 1 -4.479 -0.208 2.732 0.00 0.00 -0.479 OA ENDBRANCH 10 20 ENDBRANCH 1 11 BRANCH 7 21 ATOM 21 N LIG 1 -0.656 -1.307 -0.278 0.00 0.00 -0.322 N ATOM 22 H LIG 1 -0.099 -2.157 -0.308 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -0.254 -0.353 0.740 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 1.254 -0.234 0.733 0.00 0.00 -0.030 A ATOM 25 C LIG 1 1.905 0.409 -0.332 0.00 0.00 +0.009 A ATOM 26 C LIG 1 3.302 0.520 -0.356 0.00 0.00 -0.033 A ATOM 27 C LIG 1 4.001 1.174 -1.511 0.00 0.00 +0.055 C ATOM 28 C LIG 1 5.316 1.786 -1.045 0.00 0.00 +0.113 C ATOM 29 N LIG 1 6.145 0.824 -0.324 0.00 0.00 -0.295 N ATOM 30 C LIG 1 5.551 0.029 0.666 0.00 0.00 +0.247 C ATOM 31 O LIG 1 6.183 -0.606 1.506 0.00 0.00 -0.270 OA ATOM 32 C LIG 1 4.059 -0.041 0.683 0.00 0.00 +0.040 A ATOM 33 C LIG 1 3.414 -0.693 1.741 0.00 0.00 +0.013 A ATOM 34 C LIG 1 2.021 -0.788 1.766 0.00 0.00 +0.006 A BRANCH 29 35 ATOM 35 C LIG 1 7.600 1.056 -0.317 0.00 0.00 +0.070 C ATOM 36 C LIG 1 8.404 -0.235 -0.486 0.00 0.00 +0.028 C ATOM 37 C LIG 1 8.057 1.847 0.909 0.00 0.00 +0.028 C ENDBRANCH 29 35 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 7